SCHEMBL18530579

SCHEMBL18530579

NCc1ccc(-c2ccc(-c3ccc(C(=O)N4CCC(F)(F)CC4)cn3)cc2Cl)o1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PAK4 O96013 2/20 0.44
▸ HRH3 Q9Y5N1 10/20 0.41
▸ GABRA5 P31644 1/20 0.37
▸ FASN P49327 1/20 0.36
▸ NAMPT P43490 1/20 0.36
▸ PAK1 Q13153 1/20 0.36
▸ CNR1 P21554 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ LRRK2 Q5S007 1/20 0.35
▸ ALOX5AP P20292 1/20 0.35
▸ FEN1 P39748 1/20 0.35
▸ HTR1A P08908 1/20 0.35
▸ STAT3 P40763 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL18530650 0.88 PAK4 (0.46) PAK4HRH3GABRA5NAMPTPAK1
SCHEMBL18530520 0.88 PAK4 (0.43) PAK4HRH3GABRA5NAMPTPAK1
SCHEMBL18542112 0.84 PAK4 (0.44) PAK4HRH3GABRA5NAMPTPAK1
SCHEMBL18530652 0.83 PAK4 (0.38) PAK4HRH3GABRA5FASNCNR1
SCHEMBL18530616 0.82 PAK4 (0.67) PAK4HRH3GABRA5NAMPTPAK1
SCHEMBL18530617 0.82 PAK4 (0.67) PAK4HRH3GABRA5NAMPTPAK1
SCHEMBL18530614 0.79 PAK4 (0.43) PAK4HRH3GABRA5HPGDLRRK2
SCHEMBL18325895 0.79 HRH3 (0.51) PAK4HRH3GABRA5NAMPTPAK1
SCHEMBL18530628 0.79 HRH3 (0.37) PAK4HRH3LRRK2STAT3
SCHEMBL18530649 0.78 LOXL2 (0.38) HPGDLRRK2HTR1A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190218207-A1 3-(Pyridin-3-yl)-Acrylamide and N-(Pyridin-3-yl)-Acrylamide Derivatives and Their Use as PAK or NAMPT Modulators Karyopharm Therapeutics Inc. 2019-07-18 — — US disclosed
US-20190218207-A1 3-(Pyridin-3-yl)-Acrylamide and N-(Pyridin-3-yl)-Acrylamide Derivatives and Their Use as PAK or NAMPT Modulators Karyopharm Therapeutics Inc. 2019-07-18 — — US disclosed
EP-3337796-A1 3-(PYRIDIN-3-YL)-ACRYLAMIDE AND N-(PYRIDIN-3-YL)-ACRYLAMIDE DERIVATIVES AND THEIR USE AS PAK OR NAMPT MODULATORS Karyopharm Therapeutics, Inc. (US) 2018-06-27 — — EP disclosed
WO-2017031213-A1 3-(PYRIDIN-3-YL)-ACRYLAMIDE AND N-(PYRIDIN-3-YL)-ACRYLAMIDE DERIVATIVES AND THEIR USE AS PAK OR NAMPT MODULATORS Karyopharm Therapeutics Inc. (US) 2017-02-23 — — WO disclosed
WO-2017031213-A1 3-(PYRIDIN-3-YL)-ACRYLAMIDE AND N-(PYRIDIN-3-YL)-ACRYLAMIDE DERIVATIVES AND THEIR USE AS PAK OR NAMPT MODULATORS Karyopharm Therapeutics Inc. (US) 2017-02-23 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20190218207-A1 3-(Pyridin-3-yl)-Acrylamide and N-(Pyridin-3-yl)-Acrylamide Derivatives and Their Use as PAK or NAMPT Modulators NAMPT, PAK3, PAK5 PAK4 7/4885HRH3 2253/4885GABRA5 3266/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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